4-methyl-2-(3-morpholin-4-ylbutoxy)aniline

C15H24N2O2 — CID 82037237

IUPAC4-methyl-2-(3-morpholin-4-ylbutoxy)aniline
SMILESCc1ccc(N)c(OCCC(C)N2CCOCC2)c1
InChIInChI=1S/C15H24N2O2/c1-12-3-4-14(16)15(11-12)19-8-5-13(2)17-6-9-18-10-7-17/h3-4,11,13H,5-10,16H2,1-2H3
InChIKeyFAFMGRKQHLGBAC-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.07
Rot. Bonds5

About 4-methyl-2-(3-morpholin-4-ylbutoxy)aniline

4-methyl-2-(3-morpholin-4-ylbutoxy)aniline (PubChem CID 82037237) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-methyl-2-(3-morpholin-4-ylbutoxy)aniline.

Molecular Properties

Compound Name4-methyl-2-(3-morpholin-4-ylbutoxy)aniline
PubChem CID82037237
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-methyl-2-(3-morpholin-4-ylbutoxy)aniline
SMILESCc1ccc(N)c(OCCC(C)N2CCOCC2)c1
InChIInChI=1S/C15H24N2O2/c1-12-3-4-14(16)15(11-12)19-8-5-13(2)17-6-9-18-10-7-17/h3-4,11,13H,5-10,16H2,1-2H3
InChIKeyFAFMGRKQHLGBAC-UHFFFAOYSA-N
XLogP2.07
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-[3-(4-methylpiperazin-1-yl)butoxy]aniline
CID 82037238
4-[1-(2-methoxy-5-methylphenyl)propan-2-yl]morpholine;hydrochloride
CID 3063666
4-methyl-2-propoxyaniline
CID 24698653
5-methyl-2-(2-morpholin-4-ylpropyl)benzenethiol
CID 175441956
4-[(2S,5R)-5-(4-methylphenoxy)hexan-2-yl]morpholine
CID 1363274
ethane;4-[1-(4-methylphenyl)propan-2-yl]morpholine
CID 143833538
3-(3-morpholin-4-ylbutoxy)benzaldehyde
CID 82037081
2-(3-methoxypropoxy)-4-methylaniline
CID 26189547
1-[4-(4-methylphenoxy)butan-2-yl]pyrrolidine
CID 174927370
4-[4-(2-morpholin-4-ylpropoxy)phenoxy]benzene-1,2-diamine
CID 154418389
4-[3-(2-methoxy-5-methylphenoxy)propyl]morpholine
CID 58597190
3-methoxy-2-(3-morpholin-4-ylbutoxy)benzaldehyde
CID 82037792

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-morpholin-4-ylbutoxy)aniline?
The IUPAC name of 4-methyl-2-(3-morpholin-4-ylbutoxy)aniline (CID 82037237) is 4-methyl-2-(3-morpholin-4-ylbutoxy)aniline.
What is the SMILES notation for 4-methyl-2-(3-morpholin-4-ylbutoxy)aniline?
The canonical SMILES for 4-methyl-2-(3-morpholin-4-ylbutoxy)aniline is Cc1ccc(N)c(OCCC(C)N2CCOCC2)c1.
What is the InChIKey of 4-methyl-2-(3-morpholin-4-ylbutoxy)aniline?
The InChIKey is FAFMGRKQHLGBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12-3-4-14(16)15(11-12)19-8-5-13(2)17-6-9-18-10-7-17/h3-4,11,13H,5-10,16H2,1-2H3.
What are the key properties of 4-methyl-2-(3-morpholin-4-ylbutoxy)aniline?
4-methyl-2-(3-morpholin-4-ylbutoxy)aniline has a molecular weight of 264.37 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-morpholin-4-ylbutoxy)aniline is sourced from PubChem (CID 82037237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).